3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride

C14H14ClN3 — CID 18785968

IUPAC3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2cccnc2)Cc2ccccc21
InChIInChI=1S/C14H13N3.ClH/c15-14-12-6-2-1-4-10(12)8-13(17-14)11-5-3-7-16-9-11;/h1-7,9,13H,8H2,(H2,15,17);1H
InChIKeyGHDZGHVLQVILRB-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.51
Rot. Bonds1

About 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride

3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride (PubChem CID 18785968) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride.

Molecular Properties

Compound Name3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride
PubChem CID18785968
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2cccnc2)Cc2ccccc21
InChIInChI=1S/C14H13N3.ClH/c15-14-12-6-2-1-4-10(12)8-13(17-14)11-5-3-7-16-9-11;/h1-7,9,13H,8H2,(H2,15,17);1H
InChIKeyGHDZGHVLQVILRB-UHFFFAOYSA-N
XLogP2.51
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
CID 18785913
5-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-amine
CID 18785794
3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine
CID 16730840
3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine
CID 18785891
3-[3-(2-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine;hydrochloride
CID 139835256
3-[3-(3-aminopropoxy)phenyl]-3,4-dihydroisoquinolin-1-amine;dihydrochloride
CID 18785925
5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride
CID 18785927
3-[3-(2-azidoethyl)phenyl]-3,4-dihydroisoquinolin-1-amine
CID 18785815
3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
CID 11586733
(2S)-1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 176872171
6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
CID 18785862
2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 14893331

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The IUPAC name of 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride (CID 18785968) is 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride.
What is the SMILES notation for 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The canonical SMILES for 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride is Cl.NC1=NC(c2cccnc2)Cc2ccccc21.
What is the InChIKey of 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The InChIKey is GHDZGHVLQVILRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.ClH/c15-14-12-6-2-1-4-10(12)8-13(17-14)11-5-3-7-16-9-11;/h1-7,9,13H,8H2,(H2,15,17);1H.
What are the key properties of 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-3,4-dihydroisoquinolin-1-amine;hydrochloride is sourced from PubChem (CID 18785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).